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Ligand

NameCHEMBL346676
Molecular formulaC16H23FN4O2
IUPAC name8-cyclopentyl-1-(2-fluoropropyl)-3-propyl-7H-purine-2,6-dione
Molecular weight322.384
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
Synonyms8-Cyclopentyl-1-(2-fluoro-propyl)-3-propyl-3,7-dihydro-purine-2,6-dione
1-(2-Fluoropropyl)-3-propyl-8-cyclopentylxanthine
BDBM50062857
Inchi KeyCUKFVHUCWRAPGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H23FN4O2/c1-3-8-20-14-12(15(22)21(16(20)23)9-10(2)17)18-13(19-14)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19)
PubChem CID10782088
ChEMBLCHEMBL346676
IUPHARN/A
BindingDB50062857
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
50841Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326

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